Betamethasone

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Systematic / IUPAC Name: (8S,9R,10S,11S,13S,14S,16S,17R)-9-fluoro-11,17-dihydroxy-17-(2-hydroxyacetyl)-10,13,16-trimethyl-6,7,8,11,12,14,15,16-octahydrocyclopenta[a]phenanthren-3-one

ID: Reference1919

Other Names: Betadexamethasone;
Flubenisolone;
β-Methasone alcohol;
Betamamallet;
Betametasona ; more

Formula: C22H29FO5

Class: Therapeutics/Prescription Drugs

Spectral Data

Betamethasone mass spectral data can be found in a separate interface. The data are manually curated and of the highest quality.

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Available MS Data

Used Instruments Q Exactive Orbitrap; Q Exactive Plus Orbitrap
No. of Spectral Trees 2
No. of Spectra 108
Tandem Spectra MS1, MS2
Ionization Methods ESI
Analyzers FT
Last Modification 1/15/2015 2:15:25 PM
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Identificators

InChI InChI=1S/C22H29FO5/c1-12-8-16-15-5-4-13-9-14(25)6-7-19(13,2)21(15,23)17(26)10-20(16,3)22(12,28)18(27)11-24/h6-7,9,12,15-17,24,26,28H,4-5,8,10-11H2,1-3H3/t12-,15-,16-,17-,19-,20-,21-,22-/m0/s1
InChI Key UREBDLICKHMUKA-DVTGEIKXSA-N
Canonical SMILES CC1CC2C3CCC4=CC(=O)C=CC4(C3(C(CC2(C1(C(=O)CO)O)C)O)F)C
CAS 378449
Splash
Other Names Betadexamethasone;
Flubenisolone;
β-Methasone alcohol;
Betamamallet;
Betametasona;
Betamethasonum;
Betamethazone;
Betacorlan;
Betapredol;
Betasolon;
Betsolan;
Celestene;
Methazon;
Visubeta;
Becort;
Bedifos;
Cidoten;
β-Methasone;
Desacort-β;
Rinderon A;
Celestone;
Betamethasone alcohol;
Luxiq;
9α-Fluoro-16β-methylprednisolone;
9-Fluoro-16β-methylprednisolone;
Lotrisone;
Luxiqo;
Prednisolone, 9-fluoro-16β-methyl-;
9-Fluoro-11β,17,21-trihydroxy-16β-methylpregna-1,4-diene-3,20-dione;
Corticosterone, 1-dehydro-9-fluoro-17-hydroxy-16β-methyl-;
16β-Methyl-1,4-pregnadiene-9α-fluoro-11β,17α,21-triol-3,20-dione;
Pregna-1,4-diene-3,20-dione, 9-fluoro-11,17,21-trihydroxy-16-methyl-, (11β,16β)-;
Pregna-1,4-diene-3,20-dione, 9-fluoro-11β,17,21-trihydroxy-16β-methyl-;
9-α-Fluoro-16-β-methyl-1,4-pregnadiene-11-β,17-α,21-triol-3,20-dione;
(8S,9R,10S,11S,13S,14S,16S,17R)-9-Fluoro-11,17-dihydroxy-17-(2-hydroxyacetyl)-10,13,16-trimethyl-6,7,8,11,12,14,15,16-octahydrocyclopenta[a]phenanthren-3-one;
(11β,16β)-9-Fluoro-11,17,21-trihydroxy-16-methylpregna-1,4-diene-3,20-dione;
9α-Fluoro-11β,17α,21-trihydroxy-16β-methylpregna-1,4-diene-3,20-dione;
9α-Fluoro-16β-methyl-11β,17α,21-trihydroxy-1,4-pregnadiene-3,20-dione;
9α-Fluoro-11β,17α,21-trihydroxy-16β-methyl-1,4-pregnadiene-3,20-dione

In Other Databases

ChEBI CHEBI:3077
DrugBank APRD00513
PubChem 9782
ChemIDPlus 000378449; 007460039
Wikipedia Betamethasone
KEGG D00244; C06848
ChemSpider 9399
HMDb HMDB14586
ChEMBL CHEMBL632